SCHEMBL10097261

SCHEMBL10097261

CCn1c(-c2ccc(C(F)(F)F)cc2)c(C#N)c2ccc(O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
KIF11 P52732 2/20 0.38
ESR1 P03372 5/20 0.38
ESR2 Q92731 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SRC P12931 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10191022 0.95 KIF11 (0.40) ARKDM4EMEN1ALDH1A1LMNA
SCHEMBL10095454 0.93 AR (0.43) ARKDM4EMEN1ALDH1A1LMNA
SCHEMBL10097265 0.85 AR (0.39) ARKDM4EMEN1ALDH1A1LMNA
SCHEMBL10097259 0.85 KIF11 (0.39) KDM4EALDH1A1HTTKIF11CTSS
SCHEMBL10097250 0.84 KDM4E (0.41) ARKDM4EMEN1ALDH1A1LMNA
SCHEMBL2881906 0.84 KDM4E (0.41) ARKDM4EMEN1ALDH1A1LMNA
SCHEMBL10097285 0.84 GRIK2 (0.49) ARKDM4EMEN1ALDH1A1LMNA
SCHEMBL10095459 0.84 METAP2 (0.37) KDM4EMEN1ALDH1A1MAPTHTT
SCHEMBL10097251 0.84 ALDH1A1 (0.49) ARKDM4EMEN1ALDH1A1LMNA
SCHEMBL10095456 0.84 KIF11 (0.38) KDM4EMEN1ALDH1A1LMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS AR 4848/4885KDM4E 3703/4885MEN1 4815/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP AR 4702/4885KDM4E 4208/4885MEN1 4860/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.